1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine

C21H26N2 — CID 70595509

IUPAC1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine
SMILESCC(=CCN1CCN(C)CC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2/c1-18(12-13-23-16-14-22(2)15-17-23)20-10-6-7-11-21(20)19-8-4-3-5-9-19/h3-12H,13-17H2,1-2H3
InChIKeyDODSIEHBIGQVHJ-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.00
Rot. Bonds4

About 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine

1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine (PubChem CID 70595509) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine
PubChem CID70595509
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine
SMILESCC(=CCN1CCN(C)CC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2/c1-18(12-13-23-16-14-22(2)15-17-23)20-10-6-7-11-21(20)19-8-4-3-5-9-19/h3-12H,13-17H2,1-2H3
InChIKeyDODSIEHBIGQVHJ-UHFFFAOYSA-N
XLogP4.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine (CID 70595509) is 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine is CC(=CCN1CCN(C)CC1)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine?
The InChIKey is DODSIEHBIGQVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-18(12-13-23-16-14-22(2)15-17-23)20-10-6-7-11-21(20)19-8-4-3-5-9-19/h3-12H,13-17H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine?
1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine has a molecular weight of 306.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine is sourced from PubChem (CID 70595509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).